3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid

C22H20O4 — CID 23136363

IUPAC3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
InChIKeyBWNUDKFBKGPSBH-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.08
Rot. Bonds8

About 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid

3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid (PubChem CID 23136363) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
PubChem CID23136363
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
InChIKeyBWNUDKFBKGPSBH-UHFFFAOYSA-N
XLogP5.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Naveglitazar
CID 9888484
3,5-Diiodothyropropionic acid
CID 160565
Anisyl phenylacetate
CID 7599
LT175
CID 11483970
3,3',5-Triiodothyropropionic acid
CID 5804
Amg-837
CID 46854655
2-Methoxy-4-prop-1-enylphenyl phenylacetate
CID 61047
Benzeneacetic acid, 4-ethoxy-
CID 78631
3-(4-Benzyloxyphenyl)propionic acid
CID 561372
Eugenyl phenylacetate
CID 25238
3-Tolyl phenylacetate
CID 67146
(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
CID 11149906

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid (CID 23136363) is 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is BWNUDKFBKGPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24).
What are the key properties of 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid?
3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23136363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).